methyl 5-[(2-hydroxy-5-methylphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(2-hydroxy-5-methylphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(2-hydroxy-5-methylphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V001-6162 |
| Compound Name: | methyl 5-[(2-hydroxy-5-methylphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C21 H19 N O4 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)NC1=C(C(/C(=C\c2cc(C)ccc2O)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9848 |
| logD: | 4.9685 |
| logSw: | -4.3743 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.085 |
| InChI Key: | PUPBFETXKBVHHF-GZTJUZNOSA-N |